1.0 2011-09-21 00:11:15 UTC 2015-10-09 22:33:36 UTC FDB022267 p-Hydroxymandelic acid An acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. [HMDB] (+/-)-alpha,4-dihydroxy-Benzeneacetate (+/-)-alpha,4-dihydroxy-Benzeneacetic acid (R)-4-Hydroxymandelate (RS)-p-Hydroxymandelate (RS)-p-Hydroxymandelic acid (S)-4-Hydroxymandelate 2-(4-Hydroxyphenyl)-2-hydroxyacetate 2-(4-Hydroxyphenyl)-2-hydroxyacetic acid 3-Dimethylallyl-4-hydroxymandelate 3-Dimethylallyl-4-hydroxymandelic acid 4-Hydroxy-DL-mandelate 4-Hydroxy-DL-mandelic acid 4-Hydroxymandelate 4-Hydroxymandelic acid 4-Hydroxyphenylglycolate 4-Hydroxyphenylglycolic acid alpha,4-dihydroxy-Benzeneacetate alpha,4-dihydroxy-Benzeneacetic acid alpha,4-Dihydroxybenzeneacetate alpha,4-Dihydroxybenzeneacetic acid D-4-hydroxymandelate D-p-hydroxymandelate delta-4-hydroxymandelate delta-p-hydroxymandelate DL-4-Hydroxymandelate DL-4-Hydroxymandelic acid DL-p-Hydroxymandelate DL-p-Hydroxymandelic acid DL-p-Hydroxyphenylglycolate DL-p-Hydroxyphenylglycolic acid Hydroxy(4-hydroxyphenyl)acetate Hydroxy(4-hydroxyphenyl)acetic acid L-4-hydroxymandelate L-p-hydroxymandelate p-hydroxy-Mandelate p-hydroxy-Mandelic acid p-Hydroxymandelate p-Hydroxymandelic acid p-Hydroxyphenylglycolate p-Hydroxyphenylglycolic acid C8H8O4 168.1467 168.042258744 2-hydroxy-2-(4-hydroxyphenyl)acetic acid 4-hydroxymandelic acid 1198-84-1 OC(C(O)=O)C1=CC=C(O)C=C1 InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic homomonocyclic compounds Alpha hydroxy acids and derivatives Aromatic alcohols Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha-hydroxy acid Aromatic alcohol Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol 2-hydroxy carboxylic acid phenols Solid logp 0.86 ALOGPS logs -1.34 ALOGPS solubility 7.69e+00 g/l ALOGPS logp 0.59 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-hydroxy-2-(4-hydroxyphenyl)acetic acid ChemAxon average_mass 168.1467 ChemAxon mono_mass 168.042258744 ChemAxon smiles OC(C(O)=O)C1=CC=C(O)C=C1 ChemAxon formula C8H8O4 ChemAxon inchi InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) ChemAxon inchikey YHXHKYRQLYQUIH-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 40.68 ChemAxon polarizability 15.64 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 29 Specdb::MsIr 69 Specdb::MsIr 890 Specdb::MsIr 891 Specdb::MsIr 892 Specdb::CMs 19173 Specdb::CMs 32229 Specdb::CMs 37787 Specdb::CMs 99615 Specdb::CMs 148700 Specdb::CMs 1077650 Specdb::CMs 1077652 Specdb::CMs 1077653 Specdb::CMs 1077655 Specdb::CMs 1077657 Specdb::CMs 1077659 Specdb::CMs 1077660 Specdb::CMs 1077662 Specdb::CMs 1077664 Specdb::CMs 1077666 Specdb::CMs 1077668 Specdb::CMs 1077669 Specdb::CMs 1077671 Specdb::NmrOneD 7702 Specdb::NmrOneD 7703 Specdb::NmrOneD 7704 Specdb::NmrOneD 7705 Specdb::NmrOneD 7706 Specdb::NmrOneD 7707 Specdb::NmrOneD 7708 Specdb::NmrOneD 7709 Specdb::NmrOneD 7710 Specdb::NmrOneD 7711 Specdb::NmrOneD 7712 Specdb::NmrOneD 7713 Specdb::NmrOneD 7714 Specdb::NmrOneD 7715 Specdb::NmrOneD 7716 Specdb::NmrOneD 7717 Specdb::NmrOneD 7718 Specdb::NmrOneD 7719 Specdb::NmrOneD 7720 Specdb::NmrOneD 7721 Specdb::MsMs 12902 Specdb::MsMs 12903 Specdb::MsMs 12904 Specdb::MsMs 19574 Specdb::MsMs 19575 Specdb::MsMs 19576 Specdb::MsMs 2226580 Specdb::MsMs 2228124 Specdb::MsMs 2230525 Specdb::MsMs 2231233 Specdb::MsMs 2232945 Specdb::MsMs 2233679 Specdb::MsMs 2235282 Specdb::MsMs 2791592 Specdb::MsMs 2791593 Specdb::MsMs 2791594 Specdb::MsMs 2916893 Specdb::MsMs 2916894 Specdb::MsMs 2916895 HMDB00822 16388 #<Reference:0x000055ce32d49ff8> #<Reference:0x000055ce32d49e40> #<Reference:0x000055ce32d49c88> #<Reference:0x000055ce32d49ad0> #<Reference:0x000055ce32d49918> #<Reference:0x000055ce32d49760> #<Reference:0x000055ce32d49558> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823